1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione

C15H28N2O3 — CID 64972901

IUPAC1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCCC(COC)N1C(=O)C(C(C)C)NC(=O)C1C(C)C
InChIInChI=1S/C15H28N2O3/c1-7-11(8-20-6)17-13(10(4)5)14(18)16-12(9(2)3)15(17)19/h9-13H,7-8H2,1-6H3,(H,16,18)
InChIKeyVGZLYEZCWDCIBO-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.42
Rot. Bonds6

About 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione

1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione (PubChem CID 64972901) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
PubChem CID64972901
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
SMILESCCC(COC)N1C(=O)C(C(C)C)NC(=O)C1C(C)C
InChIInChI=1S/C15H28N2O3/c1-7-11(8-20-6)17-13(10(4)5)14(18)16-12(9(2)3)15(17)19/h9-13H,7-8H2,1-6H3,(H,16,18)
InChIKeyVGZLYEZCWDCIBO-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione with MolForge

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Related Compounds

1-(2-methylpentan-3-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64964963
3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64972873
6-ethyl-1-(4-methoxybutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64973001
3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969006
1-[4-(dimethylamino)butan-2-yl]-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64966679
1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 65053001
3-ethyl-1-(4-methoxybutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973083
3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
CID 64956689
6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64873399
1-(2-methylbutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64958231
1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64967279

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The IUPAC name of 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione (CID 64972901) is 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione is CCC(COC)N1C(=O)C(C(C)C)NC(=O)C1C(C)C.
What is the InChIKey of 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
The InChIKey is VGZLYEZCWDCIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-7-11(8-20-6)17-13(10(4)5)14(18)16-12(9(2)3)15(17)19/h9-13H,7-8H2,1-6H3,(H,16,18).
What are the key properties of 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione?
1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64972901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).